2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

C23H21N3O5 — CID 41031515

IUPAC2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H21N3O5/c1-17-7-12-22(21(13-17)26(28)29)31-16-23(27)25-24-14-18-8-10-20(11-9-18)30-15-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,25,27)/b24-14-
InChIKeyROHHOJOYYZEXMC-OYKKKHCWSA-N
MW419.44 g/mol
LogP4.01
Rot. Bonds9

About 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide

2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 41031515) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID41031515
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H21N3O5/c1-17-7-12-22(21(13-17)26(28)29)31-16-23(27)25-24-14-18-8-10-20(11-9-18)30-15-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,25,27)/b24-14-
InChIKeyROHHOJOYYZEXMC-OYKKKHCWSA-N
XLogP4.01
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3297073
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
[4-[[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 71951686
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 41270230
[2-methoxy-4-[(Z)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 41031518
N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4044793
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 41301188
2-(2-bromo-4-phenylphenoxy)-N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190499
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
2-(4-methyl-2-nitrophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 1245758

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide (CID 41031515) is 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is Cc1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ROHHOJOYYZEXMC-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-17-7-12-22(21(13-17)26(28)29)31-16-23(27)25-24-14-18-8-10-20(11-9-18)30-15-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,25,27)/b24-14-.
What are the key properties of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 419.44 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 41031515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).